4-(Trifluoromethoxy)phenyl isothiocyanate
4-(Trifluoromethoxy)phenyl isothiocyanate (CAS: 64285-95-6; Formula: CF3OC6H4NCS; MW: 219.18) is a valuable organic building block. This compound, characterised by its trifluoromethoxy and isothiocyanate functionalities, serves as a versatile reagent in chemical synthesis. It is primarily utilised in the development of novel organic molecules and pharmaceutical intermediates, offering unique reactivity for various chemical transformations. Its specific structure makes it a key intermediate for introducing the 4-(trifluoromethoxy)phenyl moiety into target compounds.
Organic Synthesis Intermediate
Utilised as a building block in complex organic synthesis, enabling the formation of diverse chemical structures. Its isothiocyanate group readily reacts with nucleophiles, facilitating the construction of heterocyclic compounds and other functionalised molecules.
Pharmaceutical Research
Serves as a key intermediate in the synthesis of potential drug candidates and biologically active molecules. The trifluoromethoxy group can impart desirable pharmacokinetic properties, making it attractive for medicinal chemistry.
Agrochemical Development
The compound can be employed in the synthesis of novel agrochemicals, contributing to the development of new pesticides, herbicides, or fungicides. Its unique structural features may lead to enhanced efficacy or novel modes of action.
| Molecular weight | 219.18 |
|---|---|
| Linear formula | CF3OC6H4NCS |
| Assay | 97% |
| Boiling point | 215-218 °C(lit.) |
| Density | 1.35 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.541(lit.) |
| Storage temperature | 2-8°C |
Hazard statements
- H314Causes severe skin burns and eye damage
Precautionary statements
- P280Wear protective gloves, clothing and eye/face protection
- P305IF IN EYES
- P310Immediately call a POISON CENTER or doctor
| Protective equipment | Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter |
|---|---|
| Flash point | 107 °C / 224.6 °F |
| Transport (UN / ADR) | UN 1760 8 / PGII |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | C |
| Risk statements (R) | 34 |
| Safety statements (S) | 26-27-36/37/39-45 |
Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.
Documentation
Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.
Supply & logistics
Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.
What is 4-(Trifluoromethoxy)phenyl isothiocyanate used for?
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4-(Trifluoromethoxy)phenyl isothiocyanate (CAS: 64285-95-6) is primarily used as a versatile building block in organic synthesis, particularly in the development of pharmaceutical intermediates and novel organic molecules. It is also explored in agrochemical research.
What are the CAS number and formula for 4-(Trifluoromethoxy)phenyl isothiocyanate?
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The CAS number is 64285-95-6, and the molecular formula is CF3OC6H4NCS.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies 4-(Trifluoromethoxy)phenyl isothiocyanate with an assay of 97%. This product is intended for research and laboratory use. Tech Serve Solutions does not represent this product as USP, BP, or EP grade.
What are the main hazards associated with 4-(Trifluoromethoxy)phenyl isothiocyanate?
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This compound is classified as Dangerous (GHS05, Danger) and causes severe skin burns and eye damage (H314). Appropriate personal protective equipment, including face shields, goggles, gloves, and suitable respiratory protection, must be used when handling this chemical.
How is 4-(Trifluoromethoxy)phenyl isothiocyanate packed and shipped?
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4-(Trifluoromethoxy)phenyl isothiocyanate is packed and shipped according to relevant transport regulations (UN 1760, Class 8, Packing Group II). TSS is a specialist global supplier and exporter of fine chemicals.
How can I request a sample or quote for 4-(Trifluoromethoxy)phenyl isothiocyanate?
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To request a sample or a quote, please contact the Tech Serve Solutions sales team through our website or by calling our customer service line. Please reference the product name and CAS number (64285-95-6).
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